3-(4-chloroanilino)-1-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)propan-1-one

C24H23ClFNO — CID 132593664

IUPAC3-(4-chloroanilino)-1-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)propan-1-one
SMILESCC(C)c1ccc(C(CC(=O)c2ccc(F)cc2)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H23ClFNO/c1-16(2)17-3-5-18(6-4-17)23(27-22-13-9-20(25)10-14-22)15-24(28)19-7-11-21(26)12-8-19/h3-14,16,23,27H,15H2,1-2H3
InChIKeyWBNHWSDVHUGTFU-UHFFFAOYSA-N
MW395.91 g/mol
LogP7.03
Rot. Bonds7

About 3-(4-chloroanilino)-1-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)propan-1-one

3-(4-chloroanilino)-1-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)propan-1-one (PubChem CID 132593664) has the molecular formula C24H23ClFNO and a molecular weight of 395.91 g/mol. Its IUPAC name is 3-(4-chloroanilino)-1-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(4-chloroanilino)-1-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)propan-1-one
PubChem CID132593664
Molecular FormulaC24H23ClFNO
Molecular Weight395.91 g/mol
Exact Mass395.15
IUPAC Name3-(4-chloroanilino)-1-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)propan-1-one
SMILESCC(C)c1ccc(C(CC(=O)c2ccc(F)cc2)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H23ClFNO/c1-16(2)17-3-5-18(6-4-17)23(27-22-13-9-20(25)10-14-22)15-24(28)19-7-11-21(26)12-8-19/h3-14,16,23,27H,15H2,1-2H3
InChIKeyWBNHWSDVHUGTFU-UHFFFAOYSA-N
XLogP7.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.91
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1,3-bis(4-chlorophenyl)-3-(4-fluoroanilino)propan-1-one
CID 7034447
1-(4-chlorophenyl)-3-(4-methylanilino)-3-(4-propan-2-ylphenyl)propan-1-one
CID 132591664
1-(4-chlorophenyl)-3-(4-iodoanilino)-3-(4-propan-2-ylphenyl)propan-1-one
CID 132591671
3-(3-chloroanilino)-3-(4-chlorophenyl)-1-(4-fluorophenyl)propan-1-one
CID 132593574
(3S)-1-(4-chlorophenyl)-3-(4-fluorophenyl)-3-(3-methylanilino)propan-1-one
CID 40978401
1,3-diphenyl-3-(4-propan-2-ylanilino)propan-1-one
CID 154717560
3-(4-chlorophenyl)-3-(4-iodoanilino)-1-(4-methylphenyl)propan-1-one
CID 132593475
(3R)-3-(4-fluorophenyl)-3-(4-methylanilino)-1-phenylpropan-1-one
CID 766742
3-(4-fluoroanilino)-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 132592034
(3R)-3-(4-fluoroanilino)-1-(4-methylphenyl)-3-phenylpropan-1-one
CID 971422
(3R)-1-(4-fluorophenyl)-3-(4-methylanilino)-3-phenylpropan-1-one
CID 51695922
3-(4-methylanilino)-1,3-bis(4-methylphenyl)propan-1-one
CID 132593466

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloroanilino)-1-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)propan-1-one?
The IUPAC name of 3-(4-chloroanilino)-1-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)propan-1-one (CID 132593664) is 3-(4-chloroanilino)-1-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)propan-1-one.
What is the SMILES notation for 3-(4-chloroanilino)-1-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)propan-1-one?
The canonical SMILES for 3-(4-chloroanilino)-1-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)propan-1-one is CC(C)c1ccc(C(CC(=O)c2ccc(F)cc2)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chloroanilino)-1-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)propan-1-one?
The InChIKey is WBNHWSDVHUGTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFNO/c1-16(2)17-3-5-18(6-4-17)23(27-22-13-9-20(25)10-14-22)15-24(28)19-7-11-21(26)12-8-19/h3-14,16,23,27H,15H2,1-2H3.
What are the key properties of 3-(4-chloroanilino)-1-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)propan-1-one?
3-(4-chloroanilino)-1-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)propan-1-one has a molecular weight of 395.91 g/mol, XLogP of 7.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloroanilino)-1-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)propan-1-one is sourced from PubChem (CID 132593664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).